2-(Heptafluoropropylhydroxymethylene)-3-oxo-4-methyl-1β,4β-isopropylidenecyclohexane (CAS 63180-06-3) — formula C14H15F7O2, molecular weight 348.26; category organic chemicals.
| CAS Number | 63180-06-3 |
|---|---|
| Molecular Formula | C14H15F7O2 |
| Molecular Weight | 348.26 |
| LogP | 4.7 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: Bicyclo[2.2.1]heptan-2-one, 3-(2, 2, 3, 4, 4-heptafluoro-1-hydroxybutylidene)-1, 7, 7-trimethyl-, (1R, 4S)-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: Bicyclo[2.2.1]heptan-2-one, 3-(2, 2, 3, 4, 4-heptafluoro-1-hydroxybutylidene)-1, 7, 7-trimethyl-, (1R, 4S)-: INACTIVE.
2-(Heptafluoropropylhydroxymethylene)-3-oxo-4-methyl-1β,4β-isopropylidenecyclohexane is a carbon-based organic compound with CAS registry number 63180-06-3 and molecular formula C14H15F7O2 (molecular weight 348.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63180-06-3
Its molecular formula C14H15F7O2 comprises 14 C, 15 H, 7 F, 2 O atoms.
Also known as: 2-(Heptafluoropropylhydroxymethylene)-3-oxo-4-methyl-1β,4β-isopropylidenecyclohexane · 2-(七氟丙基羟基亚甲基)-3-氧代-4-甲基-1β,4β-异亚丙基环己烷
Category: organic chemicals
The CAS registry number of 2-(Heptafluoropropylhydroxymethylene)-3-oxo-4-methyl-1β,4β-isopropylidenecyclohexane is 63180-06-3.
Molecular formula C14H15F7O2, molecular weight 348.26.
It is also registered under: 2-(Heptafluoropropylhydroxymethylene)-3-oxo-4-methyl-1β,4β-isopropylidenecyclohexane, 2-(七氟丙基羟基亚甲基)-3-氧代-4-甲基-1β,4β-异亚丙基环己烷.
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: Bicyclo[2.2.1]heptan-2-one, 3-(2, 2, 3, 4, 4-heptafluoro-1-hydroxybutylidene)-1, 7, 7-trimethyl-, (1R, 4S)-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-(Heptafluoropropylhydroxymethylene)-3-oxo-4-methyl-1β,4β-isopropylidenecyclohexane (CAS 63180-06-3), compiled from public chemistry databases.
| CAS 号 | 63180-06-3 |
|---|---|
| PubChem CID | 112627 |
| 分子式 | C14H15F7O2 |
| IUPAC 名称 | (1R,4S)-3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
| UNII（FDA） | NS00112043 |
| Molecular Weight | 348.26 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 348.09602685 |
| Monoisotopic Mass | 348.09602685 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 23 |
DTXSID90886557; 63180-06-3; Bicyclo(2.2.1)heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethyl-, (1R,4S)-; Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-1,7,7-trimethyl-, (1R,4S)-; RefChem:329226; DTXCID201025881; (1R,4S)-3-(2,2,3,3,4,4,4-HEPTAFLUORO-1-HYDROXYBUTYLIDENE)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONE; KAYHPSDEMCKVKU-KBUNVGBDSA-N; NS00112043
2-(七氟丙基羟基亚甲基)-3-氧代-4-甲基-1β,4β-异亚丙基环己烷 · CAS 63180-06-3 · C14H15F7O2. UNII NS00112043.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.